UCSF

ZINC35121044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.59 8.25 -26.12 2 3 1 39 242.346 3
Mid Mid (pH 6-8) 3.59 8.15 -9.17 1 3 0 38 241.338 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )